{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.2508367 -7.7008949 -7.4292509 ] [ -5.6081125 -9.4081831 29.7275114 ] [ 1.7187089 -2.4583619 2.313633 ] [ -32.0886225 -52.2938429 34.070314 ] [ 27.5574027 46.0398379 -39.5978453 ] [ 5.8019221 3.770451 3.2216499 ] [ 17.5632675 23.5737979 -17.2356327 ] [ -1.6937294 -1.5228039 -5.0703794 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.123018094168967e-08 -1.233819386966977e-08 -1.190297220010347e-08 ] [ -8.985186808343325e-09 -1.507357113121368e-08 4.762872415204863e-08 ] [ 2.753675240227842e-09 -3.938729994095844e-09 3.706848732251322e-09 ] [ -5.141164118674666e-08 -8.378397319644679e-08 5.458666100384308e-08 ] [ 4.415182669966851e-08 7.376395251652762e-08 -6.344274249640673e-08 ] [ 9.29570402090821e-09 6.040928491841933e-09 5.161652192708436e-09 ] [ 2.813945680519159e-08 3.776938817001826e-08 -2.761452798414633e-08 ] [ -2.713653668998839e-09 -2.439800826744072e-09 -8.12364340019494e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.40758558 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.530240926313376e-20 } }